2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate

C12H19N3O2 — CID 67471183

IUPAC2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCN1C=CC=NC1
InChIInChI=1S/C12H19N3O2/c16-12(14-11-5-2-1-3-6-11)17-10-15-8-4-7-13-9-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,16)
InChIKeyINZFPTPGXAZUSL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds3

About 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate

2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate (PubChem CID 67471183) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate
PubChem CID67471183
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCN1C=CC=NC1
InChIInChI=1S/C12H19N3O2/c16-12(14-11-5-2-1-3-6-11)17-10-15-8-4-7-13-9-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,16)
InChIKeyINZFPTPGXAZUSL-UHFFFAOYSA-N
XLogP1.86
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate?
The IUPAC name of 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate (CID 67471183) is 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate?
The canonical SMILES for 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCN1C=CC=NC1.
What is the InChIKey of 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate?
The InChIKey is INZFPTPGXAZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(14-11-5-2-1-3-6-11)17-10-15-8-4-7-13-9-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,16).
What are the key properties of 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate?
2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidin-1-ylmethyl N-cyclohexylcarbamate is sourced from PubChem (CID 67471183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).